Crystallography Open Database

Information card for entry 4502173

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Coordinates	4502173.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 Fe N8 Nd O6
Calculated formula	C16 H18 Fe N8 Nd O6
Title of publication	Single-Crystal-to-Single-Crystal Structural Transformation in a Three-Dimensional Bimetallic (4f−3d) Supramolecular Porous Framework
Authors of publication	Gurunatha, K. L.; Mostafa, Golam; Ghoshal, Debajyoti; Maji, Tapas Kumar
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	6
Pages of publication	2483
a	16.861 ± 0.007 Å
b	9.123 ± 0.004 Å
c	16.133 ± 0.007 Å
α	90°
β	118.44 ± 0.03°
γ	90°
Cell volume	2182.1 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1859
Residual factor for significantly intense reflections	0.0854
Weighted residual factors for significantly intense reflections	0.1714
Weighted residual factors for all reflections included in the refinement	0.2336
Goodness-of-fit parameter for all reflections included in the refinement	0.983
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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